4OO4
 
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6Q4G
 | | CDK2 in complex with FragLite37 | | Descriptor: | 2-[3-(2-azanyl-9~{H}-purin-6-yl)phenyl]ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6EUW
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6Q49
 | | CDK2 in complex with FragLite6 | | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4H
 | | CDK2 in complex with FragLite36 | | Descriptor: | 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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3A02
 | | Crystal structure of Aristaless homeodomain | | Descriptor: | CADMIUM ION, CHLORIDE ION, Homeobox protein aristaless | | Authors: | Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M. | | Deposit date: | 2009-02-28 | | Release date: | 2010-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless
Embo J., 29, 2010
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1I27
 | | CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF THE RAP74 SUBUNIT OF HUMAN TRANSCRIPTION FACTOR IIF (TFIIF) | | Descriptor: | TRANSCRIPTION FACTOR IIF, ZINC ION | | Authors: | Kamada, K, De Angelis, J, Roeder, R.G, Burley, S.K. | | Deposit date: | 2001-02-07 | | Release date: | 2001-03-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Crystal structure of the C-terminal domain of the RAP74 subunit of human transcription factor IIF.
Proc.Natl.Acad.Sci.USA, 98, 2001
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5MDU
 | | Structure of the RNA recognition motif (RRM) of Seb1 from S. pombe. | | Descriptor: | CHLORIDE ION, GLYCEROL, Rpb7-binding protein seb1, ... | | Authors: | Wittmann, S, Renner, M, El Omari, K, Adams, O, Vasiljeva, L, Grimes, J. | | Deposit date: | 2016-11-13 | | Release date: | 2017-04-12 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | The conserved protein Seb1 drives transcription termination by binding RNA polymerase II and nascent RNA.
Nat Commun, 8, 2017
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5YDE
 | | Crystal structure of a disease-related gene, hCDC73(1-111) | | Descriptor: | Parafibromin | | Authors: | Sun, W, Kuang, X.L, Liu, Y.P, Tian, L.F, Yan, X.X, Xu, W.Q. | | Deposit date: | 2017-09-13 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.023 Å) | | Cite: | Crystal structure of the N-terminal domain of human CDC73 and its implications for the hyperparathyroidism-jaw tumor (HPT-JT) syndrome
Sci Rep, 7, 2017
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8AG2
 | | Crystal structure of the BPTF bromodomain in complex with BI-7190 | | Descriptor: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one, Nucleosome-remodeling factor subunit BPTF | | Authors: | Bader, G, Boettcher, J, Wolkerstorfer, B. | | Deposit date: | 2022-07-19 | | Release date: | 2022-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.025 Å) | | Cite: | Discovery of a Chemical Probe to Study Implications of BPTF Bromodomain Inhibition in Cellular and in vivo Experiments.
Chemmedchem, 18, 2023
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6Q48
 | | CDK2 in complex with FragLite7 | | Descriptor: | 4-iodanyl-3~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6BEV
 | | Human Single Domain Sulfurtranferase TSTD1 | | Descriptor: | Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1 | | Authors: | Motl, N, Akey, D.L, Smith, J.L, Banerjee, R. | | Deposit date: | 2017-10-25 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.043 Å) | | Cite: | Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
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6Q4J
 | | CDK2 in complex with FragLite34 | | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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3IQU
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5R4O
 | | PanDDA analysis group deposition of ground-state model of BROMODOMAIN OF HUMAN NUCLEOSOME-REMODELING FACTOR SUBUNIT BPTF | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Nucleosome-remodeling factor subunit BPTF | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Renjie, Z, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-25 | | Release date: | 2020-04-01 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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4CO8
 | | Structure of the DNA binding ETS domain of human ETV4 | | Descriptor: | 1,2-ETHANEDIOL, ETS TRANSLOCATION VARIANT 4 | | Authors: | Newman, J.A, Cooper, C.D.O, Shrestha, L, Burgess-Brown, N, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2014-01-27 | | Release date: | 2014-02-05 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
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2RK3
 | | Structure of A104T DJ-1 | | Descriptor: | Protein DJ-1 | | Authors: | Lakshminarasimhan, M, Maldonado, M.T, Zhou, W, Fink, A.L, Wilson, M.A. | | Deposit date: | 2007-10-16 | | Release date: | 2008-01-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structural Impact of Three Parkinsonism-Associated Missense Mutations on Human DJ-1.
Biochemistry, 47, 2008
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6Q4E
 | | CDK2 in complex with FragLite33 | | Descriptor: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4K
 | | CDK2 in complex with FragLite38 | | Descriptor: | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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6Q4D
 | | CDK2 in complex with FragLite31 | | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
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7AZ2
 | | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1014 | | Descriptor: | 1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ... | | Authors: | Wolter, M, Dijck, L.v, Ottmann, C. | | Deposit date: | 2020-11-14 | | Release date: | 2021-06-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.081 Å) | | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
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4YTK
 | | Structure of the KOW1-Linker1 domain of Transcription Elongation Factor Spt5 | | Descriptor: | Transcription elongation factor SPT5 | | Authors: | Meyer, P.A, Li, S, Zhang, M, Yamada, K, Takagi, Y, Hartzog, G.A, Fu, J. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.0904 Å) | | Cite: | Structures and Functions of the Multiple KOW Domains of Transcription Elongation Factor Spt5.
Mol.Cell.Biol., 35, 2015
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5OHQ
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6HMT
 | | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 2 | | Descriptor: | 14-3-3 protein sigma, 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide, Estrogen Receptor, ... | | Authors: | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | | Deposit date: | 2018-09-12 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
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8BZC
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